HETATM 1 C ACE A 0 -0.218 -4.154 -0.920 1.00 0.00 C HETATM 2 O ACE A 0 -0.029 -5.243 -0.384 1.00 0.00 O HETATM 3 CH3 ACE A 0 0.945 -3.293 -1.359 1.00 0.00 C HETATM 4 H1 ACE A 0 1.015 -2.375 -0.749 1.00 0.00 H HETATM 5 H2 ACE A 0 1.896 -3.844 -1.223 1.00 0.00 H HETATM 6 H3 ACE A 0 0.877 -3.012 -2.423 1.00 0.00 H ATOM 7 N CYS A 1 -1.431 -3.652 -1.136 1.00 0.00 N ATOM 8 CA CYS A 1 -2.662 -4.381 -0.650 1.00 0.00 C ATOM 9 C CYS A 1 -3.206 -4.020 0.792 1.00 0.00 C ATOM 10 O CYS A 1 -4.217 -4.607 1.195 1.00 0.00 O ATOM 11 CB CYS A 1 -3.625 -3.801 -1.725 1.00 0.00 C ATOM 12 SG CYS A 1 -3.918 -2.020 -1.576 1.00 0.00 S ATOM 13 H CYS A 1 -1.403 -2.694 -1.531 1.00 0.00 H ATOM 14 HA CYS A 1 -2.611 -5.511 -0.641 1.00 0.00 H ATOM 15 HB2 CYS A 1 -3.316 -4.044 -2.761 1.00 0.00 H ATOM 16 HB3 CYS A 1 -4.607 -4.294 -1.612 1.00 0.00 H ATOM 17 N GLY A 2 -2.553 -3.149 1.591 1.00 0.00 N ATOM 18 CA GLY A 2 -3.034 -2.748 2.940 1.00 0.00 C ATOM 19 C GLY A 2 -1.911 -2.463 3.964 1.00 0.00 C ATOM 20 O GLY A 2 -1.831 -1.363 4.504 1.00 0.00 O ATOM 21 H GLY A 2 -1.848 -2.575 1.121 1.00 0.00 H ATOM 22 HA2 GLY A 2 -3.637 -1.824 2.830 1.00 0.00 H ATOM 23 HA3 GLY A 2 -3.729 -3.490 3.376 1.00 0.00 H ATOM 24 N ALA A 3 -1.064 -3.458 4.279 1.00 0.00 N ATOM 25 CA ALA A 3 0.008 -3.328 5.306 1.00 0.00 C ATOM 26 C ALA A 3 1.380 -2.751 4.830 1.00 0.00 C ATOM 27 O ALA A 3 1.973 -1.948 5.554 1.00 0.00 O ATOM 28 CB ALA A 3 0.127 -4.723 5.907 1.00 0.00 C ATOM 29 H ALA A 3 -1.139 -4.291 3.689 1.00 0.00 H ATOM 30 HA ALA A 3 -0.340 -2.643 6.110 1.00 0.00 H ATOM 31 HB1 ALA A 3 -0.844 -5.057 6.315 1.00 0.00 H ATOM 32 HB2 ALA A 3 0.462 -5.451 5.144 1.00 0.00 H ATOM 33 HB3 ALA A 3 0.862 -4.713 6.727 1.00 0.00 H ATOM 34 N GLU A 4 1.926 -3.149 3.668 1.00 0.00 N ATOM 35 CA GLU A 4 3.061 -2.419 3.022 1.00 0.00 C ATOM 36 C GLU A 4 2.703 -0.918 2.679 1.00 0.00 C ATOM 37 O GLU A 4 3.469 0.005 2.960 1.00 0.00 O ATOM 38 CB GLU A 4 3.462 -3.193 1.769 1.00 0.00 C ATOM 39 CG GLU A 4 4.224 -4.526 1.992 1.00 0.00 C ATOM 40 CD GLU A 4 4.684 -5.179 0.709 1.00 0.00 C ATOM 41 OE1 GLU A 4 5.752 -4.795 0.191 1.00 0.00 O ATOM 42 OE2 GLU A 4 3.986 -6.090 0.222 1.00 0.00 O ATOM 43 H GLU A 4 1.559 -4.007 3.238 1.00 0.00 H ATOM 44 HA GLU A 4 3.945 -2.431 3.671 1.00 0.00 H ATOM 45 HB2 GLU A 4 2.551 -3.350 1.167 1.00 0.00 H ATOM 46 HB3 GLU A 4 4.118 -2.512 1.202 1.00 0.00 H ATOM 47 HG2 GLU A 4 5.129 -4.372 2.604 1.00 0.00 H ATOM 48 HG3 GLU A 4 3.608 -5.264 2.529 1.00 0.00 H ATOM 49 N ALA A 5 1.497 -0.701 2.114 1.00 0.00 N ATOM 50 CA ALA A 5 0.866 0.646 1.997 1.00 0.00 C ATOM 51 C ALA A 5 0.761 1.410 3.355 1.00 0.00 C ATOM 52 O ALA A 5 1.157 2.569 3.396 1.00 0.00 O ATOM 53 CB ALA A 5 -0.543 0.369 1.481 1.00 0.00 C ATOM 54 H ALA A 5 0.985 -1.598 2.075 1.00 0.00 H ATOM 55 HA ALA A 5 1.385 1.319 1.259 1.00 0.00 H ATOM 56 HB1 ALA A 5 -0.559 -0.176 0.525 1.00 0.00 H ATOM 57 HB2 ALA A 5 -1.126 1.295 1.354 1.00 0.00 H ATOM 58 HB3 ALA A 5 -1.136 -0.234 2.199 1.00 0.00 H ATOM 59 N ALA A 6 0.254 0.807 4.450 1.00 0.00 N ATOM 60 CA ALA A 6 0.351 1.396 5.810 1.00 0.00 C ATOM 61 C ALA A 6 1.803 1.678 6.331 1.00 0.00 C ATOM 62 O ALA A 6 2.006 2.741 6.923 1.00 0.00 O ATOM 63 CB ALA A 6 -0.260 0.351 6.720 1.00 0.00 C ATOM 64 H ALA A 6 -0.112 -0.156 4.313 1.00 0.00 H ATOM 65 HA ALA A 6 -0.283 2.325 5.874 1.00 0.00 H ATOM 66 HB1 ALA A 6 0.340 -0.577 6.687 1.00 0.00 H ATOM 67 HB2 ALA A 6 -0.246 0.711 7.759 1.00 0.00 H ATOM 68 HB3 ALA A 6 -1.291 0.118 6.418 1.00 0.00 H ATOM 69 N LYS A 7 2.795 0.767 6.129 1.00 0.00 N ATOM 70 CA LYS A 7 4.228 1.095 6.387 1.00 0.00 C ATOM 71 C LYS A 7 4.790 2.271 5.502 1.00 0.00 C ATOM 72 O LYS A 7 5.626 3.024 5.987 1.00 0.00 O ATOM 73 CB LYS A 7 5.090 -0.202 6.404 1.00 0.00 C ATOM 74 CG LYS A 7 5.760 -0.504 7.782 1.00 0.00 C ATOM 75 CD LYS A 7 6.842 0.525 8.221 1.00 0.00 C ATOM 76 CE LYS A 7 6.755 1.007 9.693 1.00 0.00 C ATOM 77 NZ LYS A 7 7.668 2.198 9.814 1.00 0.00 N ATOM 78 H LYS A 7 2.518 -0.136 5.682 1.00 0.00 H ATOM 79 HA LYS A 7 4.265 1.496 7.416 1.00 0.00 H ATOM 80 HB2 LYS A 7 4.470 -1.075 6.112 1.00 0.00 H ATOM 81 HB3 LYS A 7 5.848 -0.151 5.599 1.00 0.00 H ATOM 82 HG2 LYS A 7 4.960 -0.593 8.545 1.00 0.00 H ATOM 83 HG3 LYS A 7 6.212 -1.516 7.753 1.00 0.00 H ATOM 84 HD2 LYS A 7 7.846 0.101 8.017 1.00 0.00 H ATOM 85 HD3 LYS A 7 6.799 1.403 7.543 1.00 0.00 H ATOM 86 HE2 LYS A 7 5.710 1.301 9.944 1.00 0.00 H ATOM 87 HE3 LYS A 7 7.022 0.200 10.412 1.00 0.00 H ATOM 88 HZ1 LYS A 7 7.546 2.941 9.103 1.00 0.00 H ATOM 89 HZ2 LYS A 7 7.602 2.817 10.653 1.00 0.00 H ATOM 90 HZ3 LYS A 7 8.678 2.025 9.752 1.00 0.00 H ATOM 91 N ALA A 8 4.333 2.455 4.251 1.00 0.00 N ATOM 92 CA ALA A 8 4.555 3.684 3.441 1.00 0.00 C ATOM 93 C ALA A 8 3.842 4.978 4.005 1.00 0.00 C ATOM 94 O ALA A 8 4.455 6.047 4.062 1.00 0.00 O ATOM 95 CB ALA A 8 4.013 3.398 2.050 1.00 0.00 C ATOM 96 H ALA A 8 3.926 1.599 3.855 1.00 0.00 H ATOM 97 HA ALA A 8 5.634 3.848 3.262 1.00 0.00 H ATOM 98 HB1 ALA A 8 4.244 4.250 1.391 1.00 0.00 H ATOM 99 HB2 ALA A 8 2.921 3.281 2.070 1.00 0.00 H ATOM 100 HB3 ALA A 8 4.460 2.479 1.639 1.00 0.00 H ATOM 101 N HIS A 9 2.545 4.877 4.391 1.00 0.00 N ATOM 102 CA HIS A 9 1.800 5.941 5.147 1.00 0.00 C ATOM 103 C HIS A 9 2.526 6.371 6.485 1.00 0.00 C ATOM 104 O HIS A 9 2.895 7.547 6.618 1.00 0.00 O ATOM 105 CB HIS A 9 0.332 5.414 5.204 1.00 0.00 C ATOM 106 CG HIS A 9 -0.462 5.111 3.901 1.00 0.00 C ATOM 107 ND1 HIS A 9 -1.351 4.026 3.817 1.00 0.00 N ATOM 108 CD2 HIS A 9 -0.267 5.655 2.641 1.00 0.00 C ATOM 109 CE1 HIS A 9 -1.702 4.022 2.450 1.00 0.00 C ATOM 110 NE2 HIS A 9 -1.081 5.016 1.782 1.00 0.00 N ATOM 111 H HIS A 9 2.122 3.928 4.265 1.00 0.00 H ATOM 112 HA HIS A 9 1.801 6.899 4.597 1.00 0.00 H ATOM 113 HB2 HIS A 9 0.355 4.488 5.808 1.00 0.00 H ATOM 114 HB3 HIS A 9 -0.258 6.132 5.790 1.00 0.00 H ATOM 115 HD1 HIS A 9 -1.591 3.326 4.530 1.00 0.00 H ATOM 116 HD2 HIS A 9 0.412 6.448 2.365 1.00 0.00 H ATOM 117 HE1 HIS A 9 -2.374 3.282 2.032 1.00 0.00 H ATOM 118 N ALA A 10 2.835 5.427 7.407 1.00 0.00 N ATOM 119 CA ALA A 10 3.796 5.669 8.505 1.00 0.00 C ATOM 120 C ALA A 10 5.180 6.219 8.032 1.00 0.00 C ATOM 121 O ALA A 10 5.497 7.314 8.459 1.00 0.00 O ATOM 122 CB ALA A 10 3.911 4.334 9.259 1.00 0.00 C ATOM 123 H ALA A 10 2.074 4.791 7.684 1.00 0.00 H ATOM 124 HA ALA A 10 3.372 6.422 9.190 1.00 0.00 H ATOM 125 HB1 ALA A 10 4.597 4.432 10.120 1.00 0.00 H ATOM 126 HB2 ALA A 10 2.934 3.992 9.648 1.00 0.00 H ATOM 127 HB3 ALA A 10 4.310 3.536 8.605 1.00 0.00 H ATOM 128 N LYS A 11 5.913 5.589 7.084 1.00 0.00 N ATOM 129 CA LYS A 11 7.172 6.169 6.464 1.00 0.00 C ATOM 130 C LYS A 11 7.149 7.705 6.148 1.00 0.00 C ATOM 131 O LYS A 11 8.139 8.411 6.360 1.00 0.00 O ATOM 132 CB LYS A 11 7.580 5.358 5.195 1.00 0.00 C ATOM 133 CG LYS A 11 8.947 5.707 4.529 1.00 0.00 C ATOM 134 CD LYS A 11 8.967 5.825 2.975 1.00 0.00 C ATOM 135 CE LYS A 11 8.059 6.864 2.258 1.00 0.00 C ATOM 136 NZ LYS A 11 8.175 8.215 2.883 1.00 0.00 N ATOM 137 H LYS A 11 5.328 4.855 6.654 1.00 0.00 H ATOM 138 HA LYS A 11 7.982 6.031 7.206 1.00 0.00 H ATOM 139 HB2 LYS A 11 7.601 4.287 5.468 1.00 0.00 H ATOM 140 HB3 LYS A 11 6.761 5.439 4.463 1.00 0.00 H ATOM 141 HG2 LYS A 11 9.382 6.621 4.978 1.00 0.00 H ATOM 142 HG3 LYS A 11 9.676 4.930 4.839 1.00 0.00 H ATOM 143 HD2 LYS A 11 10.017 6.000 2.667 1.00 0.00 H ATOM 144 HD3 LYS A 11 8.738 4.824 2.557 1.00 0.00 H ATOM 145 HE2 LYS A 11 8.284 6.889 1.166 1.00 0.00 H ATOM 146 HE3 LYS A 11 6.998 6.513 2.306 1.00 0.00 H ATOM 147 HZ1 LYS A 11 9.129 8.596 2.888 1.00 0.00 H ATOM 148 HZ2 LYS A 11 7.556 8.925 2.468 1.00 0.00 H ATOM 149 HZ3 LYS A 11 7.901 8.185 3.881 1.00 0.00 H ATOM 150 N ALA A 12 6.052 8.188 5.551 1.00 0.00 N ATOM 151 CA ALA A 12 5.760 9.634 5.445 1.00 0.00 C ATOM 152 C ALA A 12 5.556 10.313 6.847 1.00 0.00 C ATOM 153 O ALA A 12 6.468 10.947 7.340 1.00 0.00 O ATOM 154 CB ALA A 12 4.596 9.750 4.456 1.00 0.00 C ATOM 155 H ALA A 12 5.325 7.469 5.426 1.00 0.00 H ATOM 156 HA ALA A 12 6.630 10.116 4.980 1.00 0.00 H ATOM 157 HB1 ALA A 12 4.326 10.802 4.252 1.00 0.00 H ATOM 158 HB2 ALA A 12 3.671 9.271 4.835 1.00 0.00 H ATOM 159 HB3 ALA A 12 4.828 9.267 3.492 1.00 0.00 H ATOM 160 N ALA A 13 4.454 10.143 7.550 1.00 0.00 N ATOM 161 CA ALA A 13 4.283 10.559 8.999 1.00 0.00 C ATOM 162 C ALA A 13 5.426 10.339 10.105 1.00 0.00 C ATOM 163 O ALA A 13 5.368 10.872 11.215 1.00 0.00 O ATOM 164 CB ALA A 13 2.977 9.831 9.363 1.00 0.00 C ATOM 165 H ALA A 13 3.854 9.526 7.006 1.00 0.00 H ATOM 166 HA ALA A 13 4.079 11.644 9.023 1.00 0.00 H ATOM 167 HB1 ALA A 13 2.146 10.087 8.676 1.00 0.00 H ATOM 168 HB2 ALA A 13 3.108 8.733 9.319 1.00 0.00 H ATOM 169 HB3 ALA A 13 2.648 10.085 10.384 1.00 0.00 H ATOM 170 N GLU A 14 6.436 9.553 9.736 1.00 0.00 N ATOM 171 CA GLU A 14 7.696 9.205 10.461 1.00 0.00 C ATOM 172 C GLU A 14 8.905 10.064 9.915 1.00 0.00 C ATOM 173 O GLU A 14 9.386 10.958 10.615 1.00 0.00 O ATOM 174 CB GLU A 14 7.769 7.654 10.228 1.00 0.00 C ATOM 175 CG GLU A 14 8.917 6.735 10.712 1.00 0.00 C ATOM 176 CD GLU A 14 8.661 5.271 10.324 1.00 0.00 C ATOM 177 OE1 GLU A 14 8.947 4.849 9.182 1.00 0.00 O ATOM 178 OE2 GLU A 14 8.130 4.513 11.164 1.00 0.00 O ATOM 179 H GLU A 14 6.274 9.329 8.745 1.00 0.00 H ATOM 180 HA GLU A 14 7.589 9.404 11.544 1.00 0.00 H ATOM 181 HB2 GLU A 14 6.832 7.215 10.632 1.00 0.00 H ATOM 182 HB3 GLU A 14 7.736 7.481 9.137 1.00 0.00 H ATOM 183 HG2 GLU A 14 9.888 7.043 10.289 1.00 0.00 H ATOM 184 HG3 GLU A 14 9.023 6.788 11.810 1.00 0.00 H ATOM 185 N ALA A 15 9.379 9.835 8.668 1.00 0.00 N ATOM 186 CA ALA A 15 10.405 10.699 7.989 1.00 0.00 C ATOM 187 C ALA A 15 9.890 11.835 7.014 1.00 0.00 C ATOM 188 O ALA A 15 10.509 12.894 6.897 1.00 0.00 O ATOM 189 CB ALA A 15 11.347 9.710 7.277 1.00 0.00 C ATOM 190 H ALA A 15 9.014 8.961 8.263 1.00 0.00 H ATOM 191 HA ALA A 15 11.007 11.228 8.757 1.00 0.00 H ATOM 192 HB1 ALA A 15 11.787 8.985 7.989 1.00 0.00 H ATOM 193 HB2 ALA A 15 10.825 9.131 6.494 1.00 0.00 H ATOM 194 HB3 ALA A 15 12.190 10.239 6.797 1.00 0.00 H ATOM 195 N GLY A 16 8.821 11.577 6.246 1.00 0.00 N ATOM 196 CA GLY A 16 8.056 12.602 5.476 1.00 0.00 C ATOM 197 C GLY A 16 7.131 13.523 6.317 1.00 0.00 C ATOM 198 O GLY A 16 7.571 14.221 7.229 1.00 0.00 O ATOM 199 H GLY A 16 8.287 10.831 6.711 1.00 0.00 H ATOM 200 HA2 GLY A 16 8.690 13.201 4.833 1.00 0.00 H ATOM 201 HA3 GLY A 16 7.393 12.018 4.804 1.00 0.00 H ATOM 202 N CYS A 17 5.834 13.520 5.965 1.00 0.00 N ATOM 203 CA CYS A 17 4.756 14.089 6.817 1.00 0.00 C ATOM 204 C CYS A 17 4.872 15.553 7.311 1.00 0.00 C ATOM 205 O CYS A 17 4.009 16.117 7.991 1.00 0.00 O ATOM 206 CB CYS A 17 3.659 14.152 5.706 1.00 0.00 C ATOM 207 SG CYS A 17 4.122 15.210 4.296 1.00 0.00 S ATOM 208 H CYS A 17 5.632 12.895 5.181 1.00 0.00 H ATOM 209 HA CYS A 17 4.619 13.387 7.681 1.00 0.00 H ATOM 210 HB2 CYS A 17 3.364 13.147 5.340 1.00 0.00 H ATOM 211 HB3 CYS A 17 2.709 14.546 6.127 1.00 0.00 H HETATM 212 N NH2 A 18 6.000 16.133 6.960 1.00 0.00 N HETATM 213 HN1 NH2 A 18 6.685 15.620 6.393 1.00 0.00 H HETATM 214 HN2 NH2 A 18 6.194 17.097 7.252 1.00 0.00 H TER 215 NH2 A 18 HETATM 216 C ACE B 0 -8.130 1.219 -3.500 1.00 0.00 C HETATM 217 O ACE B 0 -7.618 2.325 -3.360 1.00 0.00 O HETATM 218 CH3 ACE B 0 -9.541 0.948 -3.030 1.00 0.00 C HETATM 219 H1 ACE B 0 -10.230 0.816 -3.882 1.00 0.00 H HETATM 220 H2 ACE B 0 -9.594 0.056 -2.382 1.00 0.00 H HETATM 221 H3 ACE B 0 -9.910 1.802 -2.437 1.00 0.00 H ATOM 222 N CYS B 1 -7.508 0.185 -4.056 1.00 0.00 N ATOM 223 CA CYS B 1 -6.062 0.260 -4.463 1.00 0.00 C ATOM 224 C CYS B 1 -5.749 0.771 -5.923 1.00 0.00 C ATOM 225 O CYS B 1 -4.570 1.020 -6.192 1.00 0.00 O ATOM 226 CB CYS B 1 -5.480 -1.146 -4.173 1.00 0.00 C ATOM 227 SG CYS B 1 -5.683 -1.577 -2.424 1.00 0.00 S ATOM 228 H CYS B 1 -8.114 -0.648 -4.139 1.00 0.00 H ATOM 229 HA CYS B 1 -5.480 0.964 -3.803 1.00 0.00 H ATOM 230 HB2 CYS B 1 -5.949 -1.931 -4.795 1.00 0.00 H ATOM 231 HB3 CYS B 1 -4.399 -1.180 -4.407 1.00 0.00 H ATOM 232 N GLY B 2 -6.725 0.961 -6.850 1.00 0.00 N ATOM 233 CA GLY B 2 -6.452 1.527 -8.204 1.00 0.00 C ATOM 234 C GLY B 2 -6.838 3.016 -8.372 1.00 0.00 C ATOM 235 O GLY B 2 -5.962 3.874 -8.267 1.00 0.00 O ATOM 236 H GLY B 2 -7.686 0.873 -6.492 1.00 0.00 H ATOM 237 HA2 GLY B 2 -5.378 1.428 -8.469 1.00 0.00 H ATOM 238 HA3 GLY B 2 -6.958 0.916 -8.972 1.00 0.00 H ATOM 239 N ALA B 3 -8.113 3.355 -8.640 1.00 0.00 N ATOM 240 CA ALA B 3 -8.553 4.777 -8.741 1.00 0.00 C ATOM 241 C ALA B 3 -8.735 5.561 -7.398 1.00 0.00 C ATOM 242 O ALA B 3 -8.389 6.743 -7.342 1.00 0.00 O ATOM 243 CB ALA B 3 -9.847 4.747 -9.554 1.00 0.00 C ATOM 244 H ALA B 3 -8.826 2.619 -8.630 1.00 0.00 H ATOM 245 HA ALA B 3 -7.800 5.345 -9.331 1.00 0.00 H ATOM 246 HB1 ALA B 3 -10.203 5.775 -9.739 1.00 0.00 H ATOM 247 HB2 ALA B 3 -9.699 4.262 -10.535 1.00 0.00 H ATOM 248 HB3 ALA B 3 -10.645 4.209 -9.007 1.00 0.00 H ATOM 249 N GLU B 4 -9.244 4.931 -6.323 1.00 0.00 N ATOM 250 CA GLU B 4 -9.230 5.506 -4.942 1.00 0.00 C ATOM 251 C GLU B 4 -7.792 5.849 -4.418 1.00 0.00 C ATOM 252 O GLU B 4 -7.553 6.950 -3.909 1.00 0.00 O ATOM 253 CB GLU B 4 -10.088 4.562 -4.049 1.00 0.00 C ATOM 254 CG GLU B 4 -11.642 4.723 -4.085 1.00 0.00 C ATOM 255 CD GLU B 4 -12.351 4.882 -5.426 1.00 0.00 C ATOM 256 OE1 GLU B 4 -12.170 4.044 -6.327 1.00 0.00 O ATOM 257 OE2 GLU B 4 -13.079 5.887 -5.573 1.00 0.00 O ATOM 258 H GLU B 4 -9.902 4.172 -6.541 1.00 0.00 H ATOM 259 HA GLU B 4 -9.713 6.486 -4.990 1.00 0.00 H ATOM 260 HB2 GLU B 4 -9.833 3.509 -4.281 1.00 0.00 H ATOM 261 HB3 GLU B 4 -9.767 4.680 -2.996 1.00 0.00 H ATOM 262 HG2 GLU B 4 -12.113 3.845 -3.609 1.00 0.00 H ATOM 263 HG3 GLU B 4 -11.939 5.577 -3.456 1.00 0.00 H ATOM 264 N ALA B 5 -6.820 4.945 -4.637 1.00 0.00 N ATOM 265 CA ALA B 5 -5.376 5.280 -4.492 1.00 0.00 C ATOM 266 C ALA B 5 -4.947 6.434 -5.432 1.00 0.00 C ATOM 267 O ALA B 5 -4.321 7.360 -4.933 1.00 0.00 O ATOM 268 CB ALA B 5 -4.544 4.071 -4.930 1.00 0.00 C ATOM 269 H ALA B 5 -7.202 4.141 -5.163 1.00 0.00 H ATOM 270 HA ALA B 5 -5.099 5.587 -3.447 1.00 0.00 H ATOM 271 HB1 ALA B 5 -4.808 3.772 -5.965 1.00 0.00 H ATOM 272 HB2 ALA B 5 -4.682 3.210 -4.271 1.00 0.00 H ATOM 273 HB3 ALA B 5 -3.470 4.328 -4.990 1.00 0.00 H ATOM 274 N ALA B 6 -5.234 6.393 -6.750 1.00 0.00 N ATOM 275 CA ALA B 6 -4.767 7.435 -7.678 1.00 0.00 C ATOM 276 C ALA B 6 -5.228 8.908 -7.313 1.00 0.00 C ATOM 277 O ALA B 6 -4.409 9.821 -7.215 1.00 0.00 O ATOM 278 CB ALA B 6 -5.312 7.044 -9.040 1.00 0.00 C ATOM 279 H ALA B 6 -5.826 5.612 -7.088 1.00 0.00 H ATOM 280 HA ALA B 6 -3.666 7.265 -7.688 1.00 0.00 H ATOM 281 HB1 ALA B 6 -6.416 7.096 -9.034 1.00 0.00 H ATOM 282 HB2 ALA B 6 -5.000 6.024 -9.313 1.00 0.00 H ATOM 283 HB3 ALA B 6 -4.943 7.755 -9.795 1.00 0.00 H ATOM 284 N LYS B 7 -6.549 9.070 -7.079 1.00 0.00 N ATOM 285 CA LYS B 7 -7.206 10.272 -6.479 1.00 0.00 C ATOM 286 C LYS B 7 -6.575 10.761 -5.130 1.00 0.00 C ATOM 287 O LYS B 7 -6.209 11.933 -5.009 1.00 0.00 O ATOM 288 CB LYS B 7 -8.689 9.801 -6.347 1.00 0.00 C ATOM 289 CG LYS B 7 -9.699 10.761 -5.665 1.00 0.00 C ATOM 290 CD LYS B 7 -11.176 10.299 -5.721 1.00 0.00 C ATOM 291 CE LYS B 7 -11.399 8.832 -5.293 1.00 0.00 C ATOM 292 NZ LYS B 7 -12.841 8.492 -5.234 1.00 0.00 N ATOM 293 H LYS B 7 -7.065 8.186 -7.198 1.00 0.00 H ATOM 294 HA LYS B 7 -7.137 11.124 -7.189 1.00 0.00 H ATOM 295 HB2 LYS B 7 -9.076 9.514 -7.346 1.00 0.00 H ATOM 296 HB3 LYS B 7 -8.698 8.852 -5.765 1.00 0.00 H ATOM 297 HG2 LYS B 7 -9.396 10.907 -4.606 1.00 0.00 H ATOM 298 HG3 LYS B 7 -9.605 11.771 -6.113 1.00 0.00 H ATOM 299 HD2 LYS B 7 -11.769 10.985 -5.080 1.00 0.00 H ATOM 300 HD3 LYS B 7 -11.557 10.454 -6.750 1.00 0.00 H ATOM 301 HE2 LYS B 7 -10.900 8.153 -6.023 1.00 0.00 H ATOM 302 HE3 LYS B 7 -10.888 8.619 -4.323 1.00 0.00 H ATOM 303 HZ1 LYS B 7 -12.976 7.446 -5.313 1.00 0.00 H ATOM 304 HZ2 LYS B 7 -13.396 8.851 -6.018 1.00 0.00 H ATOM 305 HZ3 LYS B 7 -13.310 8.752 -4.360 1.00 0.00 H ATOM 306 N ALA B 8 -6.413 9.870 -4.132 1.00 0.00 N ATOM 307 CA ALA B 8 -5.601 10.171 -2.925 1.00 0.00 C ATOM 308 C ALA B 8 -4.104 10.592 -3.148 1.00 0.00 C ATOM 309 O ALA B 8 -3.531 11.351 -2.364 1.00 0.00 O ATOM 310 CB ALA B 8 -5.530 8.866 -2.158 1.00 0.00 C ATOM 311 H ALA B 8 -6.805 8.930 -4.302 1.00 0.00 H ATOM 312 HA ALA B 8 -6.141 10.891 -2.275 1.00 0.00 H ATOM 313 HB1 ALA B 8 -4.945 8.105 -2.704 1.00 0.00 H ATOM 314 HB2 ALA B 8 -6.533 8.484 -1.935 1.00 0.00 H ATOM 315 HB3 ALA B 8 -5.013 9.091 -1.217 1.00 0.00 H ATOM 316 N HIS B 9 -3.452 9.972 -4.150 1.00 0.00 N ATOM 317 CA HIS B 9 -2.032 10.229 -4.518 1.00 0.00 C ATOM 318 C HIS B 9 -1.881 11.651 -5.181 1.00 0.00 C ATOM 319 O HIS B 9 -1.045 12.446 -4.737 1.00 0.00 O ATOM 320 CB HIS B 9 -1.591 8.908 -5.205 1.00 0.00 C ATOM 321 CG HIS B 9 -1.493 7.647 -4.287 1.00 0.00 C ATOM 322 ND1 HIS B 9 -1.367 6.357 -4.816 1.00 0.00 N ATOM 323 CD2 HIS B 9 -1.667 7.589 -2.901 1.00 0.00 C ATOM 324 CE1 HIS B 9 -1.364 5.558 -3.649 1.00 0.00 C ATOM 325 NE2 HIS B 9 -1.485 6.308 -2.521 1.00 0.00 N ATOM 326 H HIS B 9 -4.068 9.431 -4.797 1.00 0.00 H ATOM 327 HA HIS B 9 -1.394 10.277 -3.619 1.00 0.00 H ATOM 328 HB2 HIS B 9 -2.284 8.694 -6.042 1.00 0.00 H ATOM 329 HB3 HIS B 9 -0.616 9.081 -5.683 1.00 0.00 H ATOM 330 HD1 HIS B 9 -1.104 6.101 -5.776 1.00 0.00 H ATOM 331 HD2 HIS B 9 -1.909 8.427 -2.251 1.00 0.00 H ATOM 332 HE1 HIS B 9 -1.279 4.475 -3.730 1.00 0.00 H ATOM 333 N ALA B 10 -2.759 12.009 -6.138 1.00 0.00 N ATOM 334 CA ALA B 10 -2.961 13.404 -6.591 1.00 0.00 C ATOM 335 C ALA B 10 -3.277 14.425 -5.442 1.00 0.00 C ATOM 336 O ALA B 10 -2.597 15.442 -5.370 1.00 0.00 O ATOM 337 CB ALA B 10 -4.131 13.300 -7.593 1.00 0.00 C ATOM 338 H ALA B 10 -3.142 11.256 -6.717 1.00 0.00 H ATOM 339 HA ALA B 10 -2.049 13.764 -7.098 1.00 0.00 H ATOM 340 HB1 ALA B 10 -5.057 12.929 -7.109 1.00 0.00 H ATOM 341 HB2 ALA B 10 -4.379 14.289 -8.018 1.00 0.00 H ATOM 342 HB3 ALA B 10 -3.913 12.622 -8.437 1.00 0.00 H ATOM 343 N LYS B 11 -4.197 14.138 -4.491 1.00 0.00 N ATOM 344 CA LYS B 11 -4.379 15.004 -3.268 1.00 0.00 C ATOM 345 C LYS B 11 -3.044 15.233 -2.461 1.00 0.00 C ATOM 346 O LYS B 11 -2.516 16.355 -2.365 1.00 0.00 O ATOM 347 CB LYS B 11 -5.537 14.431 -2.398 1.00 0.00 C ATOM 348 CG LYS B 11 -6.074 15.391 -1.295 1.00 0.00 C ATOM 349 CD LYS B 11 -6.659 14.653 -0.067 1.00 0.00 C ATOM 350 CE LYS B 11 -5.606 14.228 0.989 1.00 0.00 C ATOM 351 NZ LYS B 11 -6.121 13.014 1.687 1.00 0.00 N ATOM 352 H LYS B 11 -4.520 13.157 -4.593 1.00 0.00 H ATOM 353 HA LYS B 11 -4.694 16.007 -3.619 1.00 0.00 H ATOM 354 HB2 LYS B 11 -6.387 14.137 -3.047 1.00 0.00 H ATOM 355 HB3 LYS B 11 -5.209 13.468 -1.956 1.00 0.00 H ATOM 356 HG2 LYS B 11 -5.307 16.124 -0.975 1.00 0.00 H ATOM 357 HG3 LYS B 11 -6.861 16.026 -1.749 1.00 0.00 H ATOM 358 HD2 LYS B 11 -7.416 15.295 0.424 1.00 0.00 H ATOM 359 HD3 LYS B 11 -7.251 13.786 -0.439 1.00 0.00 H ATOM 360 HE2 LYS B 11 -4.638 13.975 0.496 1.00 0.00 H ATOM 361 HE3 LYS B 11 -5.370 15.050 1.699 1.00 0.00 H ATOM 362 HZ1 LYS B 11 -5.473 12.527 2.317 1.00 0.00 H ATOM 363 HZ2 LYS B 11 -6.410 12.247 1.023 1.00 0.00 H ATOM 364 HZ3 LYS B 11 -7.022 13.095 2.176 1.00 0.00 H ATOM 365 N ALA B 12 -2.458 14.135 -1.940 1.00 0.00 N ATOM 366 CA ALA B 12 -1.082 14.110 -1.371 1.00 0.00 C ATOM 367 C ALA B 12 -0.088 15.188 -1.948 1.00 0.00 C ATOM 368 O ALA B 12 0.130 16.264 -1.377 1.00 0.00 O ATOM 369 CB ALA B 12 -0.609 12.645 -1.430 1.00 0.00 C ATOM 370 H ALA B 12 -3.014 13.286 -2.065 1.00 0.00 H ATOM 371 HA ALA B 12 -1.179 14.302 -0.314 1.00 0.00 H ATOM 372 HB1 ALA B 12 -1.250 11.988 -0.814 1.00 0.00 H ATOM 373 HB2 ALA B 12 -0.582 12.240 -2.448 1.00 0.00 H ATOM 374 HB3 ALA B 12 0.417 12.563 -1.029 1.00 0.00 H ATOM 375 N ALA B 13 0.202 14.931 -3.212 1.00 0.00 N ATOM 376 CA ALA B 13 0.898 15.860 -4.153 1.00 0.00 C ATOM 377 C ALA B 13 0.324 17.314 -4.413 1.00 0.00 C ATOM 378 O ALA B 13 1.088 18.265 -4.581 1.00 0.00 O ATOM 379 CB ALA B 13 0.906 15.018 -5.444 1.00 0.00 C ATOM 380 H ALA B 13 -0.474 14.184 -3.458 1.00 0.00 H ATOM 381 HA ALA B 13 1.942 15.993 -3.811 1.00 0.00 H ATOM 382 HB1 ALA B 13 1.371 14.023 -5.305 1.00 0.00 H ATOM 383 HB2 ALA B 13 -0.125 14.839 -5.811 1.00 0.00 H ATOM 384 HB3 ALA B 13 1.445 15.531 -6.256 1.00 0.00 H ATOM 385 N GLU B 14 -1.007 17.454 -4.395 1.00 0.00 N ATOM 386 CA GLU B 14 -1.770 18.759 -4.417 1.00 0.00 C ATOM 387 C GLU B 14 -2.129 19.003 -2.889 1.00 0.00 C ATOM 388 O GLU B 14 -3.272 18.950 -2.419 1.00 0.00 O ATOM 389 CB GLU B 14 -3.008 18.488 -5.313 1.00 0.00 C ATOM 390 CG GLU B 14 -3.899 19.716 -5.647 1.00 0.00 C ATOM 391 CD GLU B 14 -3.393 20.629 -6.751 1.00 0.00 C ATOM 392 OE1 GLU B 14 -3.710 20.367 -7.930 1.00 0.00 O ATOM 393 OE2 GLU B 14 -2.714 21.628 -6.441 1.00 0.00 O ATOM 394 H GLU B 14 -1.402 16.654 -3.849 1.00 0.00 H ATOM 395 HA GLU B 14 -1.221 19.601 -4.922 1.00 0.00 H ATOM 396 HB2 GLU B 14 -2.681 18.019 -6.263 1.00 0.00 H ATOM 397 HB3 GLU B 14 -3.632 17.719 -4.821 1.00 0.00 H ATOM 398 HG2 GLU B 14 -4.895 19.379 -5.975 1.00 0.00 H ATOM 399 HG3 GLU B 14 -4.076 20.338 -4.753 1.00 0.00 H ATOM 400 N ALA B 15 -1.085 19.347 -2.141 1.00 0.00 N ATOM 401 CA ALA B 15 -0.908 19.299 -0.653 1.00 0.00 C ATOM 402 C ALA B 15 -2.020 18.881 0.376 1.00 0.00 C ATOM 403 O ALA B 15 -2.413 19.457 1.395 1.00 0.00 O ATOM 404 CB ALA B 15 -0.605 20.766 -0.462 1.00 0.00 C ATOM 405 H ALA B 15 -0.699 18.442 -2.454 1.00 0.00 H ATOM 406 HA ALA B 15 0.084 18.859 -0.337 1.00 0.00 H ATOM 407 HB1 ALA B 15 -1.497 21.360 -0.742 1.00 0.00 H ATOM 408 HB2 ALA B 15 -0.360 20.931 0.595 1.00 0.00 H ATOM 409 HB3 ALA B 15 0.265 21.065 -1.080 1.00 0.00 H ATOM 410 N GLY B 16 -2.255 17.610 0.101 1.00 0.00 N ATOM 411 CA GLY B 16 -2.920 16.591 0.924 1.00 0.00 C ATOM 412 C GLY B 16 -1.973 15.588 1.647 1.00 0.00 C ATOM 413 O GLY B 16 -2.446 14.581 2.169 1.00 0.00 O ATOM 414 H GLY B 16 -1.855 17.314 -0.800 1.00 0.00 H ATOM 415 HA2 GLY B 16 -3.748 16.956 1.514 1.00 0.00 H ATOM 416 HA3 GLY B 16 -3.340 15.924 0.140 1.00 0.00 H ATOM 417 N CYS B 17 -0.664 15.883 1.537 1.00 0.00 N ATOM 418 CA CYS B 17 0.500 14.972 1.716 1.00 0.00 C ATOM 419 C CYS B 17 0.281 13.491 2.224 1.00 0.00 C ATOM 420 O CYS B 17 0.105 12.581 1.422 1.00 0.00 O ATOM 421 CB CYS B 17 1.610 15.730 2.499 1.00 0.00 C ATOM 422 SG CYS B 17 3.099 14.714 2.640 1.00 0.00 S ATOM 423 H CYS B 17 -0.629 16.836 1.132 1.00 0.00 H ATOM 424 HA CYS B 17 0.797 14.872 0.608 1.00 0.00 H ATOM 425 HB2 CYS B 17 1.896 16.685 2.021 1.00 0.00 H ATOM 426 HB3 CYS B 17 1.284 15.981 3.527 1.00 0.00 H HETATM 427 N NH2 B 18 0.292 13.161 3.500 1.00 0.00 N HETATM 428 HN1 NH2 B 18 0.470 12.146 3.628 1.00 0.00 H HETATM 429 HN2 NH2 B 18 0.548 13.905 4.150 1.00 0.00 H TER 430 NH2 B 18 HETATM 431 CO3 PC3 A 20 -1.330 5.611 -0.360 1.00 0.00 CO HETATM 432 C PC3 A 20 -4.659 2.856 -0.964 1.00 0.00 C HETATM 433 C1 PC3 A 20 -5.400 4.023 -0.559 1.00 0.00 C HETATM 434 C2A PC3 A 20 -4.401 4.983 -0.247 1.00 0.00 C HETATM 435 N2B PC3 A 20 -3.108 4.575 -0.533 1.00 0.00 N HETATM 436 C2C PC3 A 20 -3.290 3.272 -0.946 1.00 0.00 C HETATM 437 CA PC3 A 20 -4.691 6.274 0.324 1.00 0.00 C HETATM 438 C4C PC3 A 20 -3.808 7.365 0.618 1.00 0.00 C HETATM 439 C2 PC3 A 20 -4.234 8.614 1.196 1.00 0.00 C HETATM 440 C3 PC3 A 20 -3.030 9.432 1.123 1.00 0.00 C HETATM 441 C4A PC3 A 20 -2.006 8.547 0.641 1.00 0.00 C HETATM 442 N4B PC3 A 20 -2.446 7.272 0.345 1.00 0.00 N HETATM 443 CB PC3 A 20 -0.608 8.908 0.469 1.00 0.00 C HETATM 444 C6C PC3 A 20 0.512 8.082 0.068 1.00 0.00 C HETATM 445 C4 PC3 A 20 1.835 8.554 -0.007 1.00 0.00 C HETATM 446 C5 PC3 A 20 2.606 7.402 -0.431 1.00 0.00 C HETATM 447 C6A PC3 A 20 1.661 6.358 -0.563 1.00 0.00 C HETATM 448 N6B PC3 A 20 0.370 6.751 -0.282 1.00 0.00 N HETATM 449 CC PC3 A 20 1.987 5.001 -0.952 1.00 0.00 C HETATM 450 C8C PC3 A 20 1.102 3.863 -1.163 1.00 0.00 C HETATM 451 C6 PC3 A 20 1.521 2.554 -1.569 1.00 0.00 C HETATM 452 C7 PC3 A 20 0.280 1.817 -1.727 1.00 0.00 C HETATM 453 C8A PC3 A 20 -0.742 2.736 -1.344 1.00 0.00 C HETATM 454 N8B PC3 A 20 -0.263 3.976 -0.984 1.00 0.00 N HETATM 455 CD PC3 A 20 -2.163 2.434 -1.322 1.00 0.00 C HETATM 456 C8 PC3 A 20 -2.860 10.869 1.629 1.00 0.00 C HETATM 457 C9 PC3 A 20 -6.913 4.125 -0.359 1.00 0.00 C HETATM 458 C10 PC3 A 20 0.139 0.385 -2.239 1.00 0.00 C HETATM 459 C11 PC3 A 20 4.082 7.296 -0.726 1.00 0.00 C HETATM 460 C12 PC3 A 20 -5.569 8.943 1.941 1.00 0.00 C HETATM 461 CX5 PC3 A 20 -6.953 9.016 1.205 1.00 0.00 C HETATM 462 C14 PC3 A 20 -5.235 1.434 -1.026 1.00 0.00 C HETATM 463 C15 PC3 A 20 -5.437 0.800 0.374 1.00 0.00 C HETATM 464 C16 PC3 A 20 2.945 2.019 -1.854 1.00 0.00 C HETATM 465 C17 PC3 A 20 3.402 2.119 -3.337 1.00 0.00 C HETATM 466 C18 PC3 A 20 2.230 10.009 0.199 1.00 0.00 C HETATM 467 C19 PC3 A 20 2.513 10.329 1.678 1.00 0.00 C HETATM 468 C21 PC3 A 20 -4.148 0.719 1.165 1.00 0.00 C HETATM 469 O1 PC3 A 20 -3.897 1.607 2.005 1.00 0.00 O HETATM 470 O2 PC3 A 20 -3.292 -0.104 0.793 1.00 0.00 O HETATM 471 C22 PC3 A 20 -7.522 10.417 0.926 1.00 0.00 C HETATM 472 O3 PC3 A 20 -8.237 10.975 1.773 1.00 0.00 O HETATM 473 O22 PC3 A 20 -7.054 11.042 -0.045 1.00 0.00 O HETATM 474 C23 PC3 A 20 1.455 9.897 2.688 1.00 0.00 C HETATM 475 O23 PC3 A 20 1.368 10.477 3.781 1.00 0.00 O HETATM 476 O4 PC3 A 20 0.723 8.907 2.390 1.00 0.00 O HETATM 477 C24 PC3 A 20 3.548 3.546 -3.851 1.00 0.00 C HETATM 478 O5 PC3 A 20 2.485 4.192 -4.041 1.00 0.00 O HETATM 479 O6 PC3 A 20 4.664 4.093 -3.858 1.00 0.00 O HETATM 480 HA PC3 A 20 -5.734 6.461 0.546 1.00 0.00 H HETATM 481 HB PC3 A 20 -0.358 9.937 0.706 1.00 0.00 H HETATM 482 HC PC3 A 20 3.036 4.815 -1.164 1.00 0.00 H HETATM 483 HD PC3 A 20 -2.425 1.417 -1.591 1.00 0.00 H HETATM 484 H81 PC3 A 20 -3.002 11.608 0.821 1.00 0.00 H HETATM 485 H82 PC3 A 20 -3.568 11.119 2.437 1.00 0.00 H HETATM 486 H83 PC3 A 20 -1.852 11.043 2.057 1.00 0.00 H HETATM 487 H91 PC3 A 20 -7.193 4.004 0.705 1.00 0.00 H HETATM 488 H92 PC3 A 20 -7.457 3.343 -0.922 1.00 0.00 H HETATM 489 H93 PC3 A 20 -7.319 5.093 -0.708 1.00 0.00 H HETATM 490 H101 PC3 A 20 1.025 -0.226 -1.983 1.00 0.00 H HETATM 491 H102 PC3 A 20 0.049 0.358 -3.342 1.00 0.00 H HETATM 492 H103 PC3 A 20 -0.738 -0.141 -1.819 1.00 0.00 H HETATM 493 H111 PC3 A 20 4.272 6.650 -1.607 1.00 0.00 H HETATM 494 H112 PC3 A 20 4.516 8.287 -0.950 1.00 0.00 H HETATM 495 H113 PC3 A 20 4.639 6.869 0.125 1.00 0.00 H HETATM 496 H121 PC3 A 20 -5.674 8.181 2.735 1.00 0.00 H HETATM 497 H122 PC3 A 20 -5.444 9.868 2.533 1.00 0.00 H HETATM 498 H221 PC3 A 20 -6.960 8.443 0.267 1.00 0.00 H HETATM 499 H222 PC3 A 20 -7.715 8.519 1.835 1.00 0.00 H HETATM 500 H141 PC3 A 20 -4.593 0.774 -1.636 1.00 0.00 H HETATM 501 H142 PC3 A 20 -6.208 1.440 -1.537 1.00 0.00 H HETATM 502 H151 PC3 A 20 -5.842 -0.224 0.288 1.00 0.00 H HETATM 503 H152 PC3 A 20 -6.180 1.362 0.968 1.00 0.00 H HETATM 504 H161 PC3 A 20 3.013 0.959 -1.542 1.00 0.00 H HETATM 505 H162 PC3 A 20 3.690 2.534 -1.218 1.00 0.00 H HETATM 506 H171 PC3 A 20 4.378 1.615 -3.470 1.00 0.00 H HETATM 507 H172 PC3 A 20 2.706 1.583 -4.006 1.00 0.00 H HETATM 508 H181 PC3 A 20 1.406 10.659 -0.151 1.00 0.00 H HETATM 509 H182 PC3 A 20 3.100 10.273 -0.426 1.00 0.00 H HETATM 510 H192 PC3 A 20 2.684 11.412 1.808 1.00 0.00 H HETATM 511 H191 PC3 A 20 3.452 9.843 1.960 1.00 0.00 H